SCHEMBL5540980

SCHEMBL5540980

N#Cc1ccc(C(=O)Nc2ccc(Cl)cc2)cc1[N+](=O)[O-]

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 1/20 0.59
MAPT P10636 5/20 0.56
MEN1 O00255 5/20 0.55
KMT2A Q03164 5/20 0.55
ALDH1A1 P00352 5/20 0.55
LMNA P02545 2/20 0.55
HTT P42858 1/20 0.55
MDM2 Q00987 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
KDM4E B2RXH2 1/20 0.51
POLB P06746 1/20 0.51
XBP1 P17861 1/20 0.51
MAPK1 P28482 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.50
HPGD P15428 1/20 0.50
AURKB Q96GD4 1/20 0.49
PHGDH O43175 1/20 0.49
KCNQ3 O43525 1/20 0.47
KCNQ2 O43526 1/20 0.47

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL300146 0.87 ALDH1A1 (0.62) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL5539589 0.79 KCNQ3 (0.51) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL15208644 0.79 VCAM1 (0.53) VCAM1MAPTMEN1KMT2AALDH1A1
SCHEMBL14120559 0.78 LMNA (0.48) VCAM1MAPTMEN1KMT2AALDH1A1
SCHEMBL30409295 0.78 MEN1 (0.73) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL29878073 0.78 MEN1 (0.57) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL289572 0.77 VCAM1 (0.61) VCAM1MAPTALDH1A1LMNAPOLB
SCHEMBL5533137 0.77 MEN1 (0.57) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL1343562 0.76 VCAM1 (1.00) VCAM1MAPTALDH1A1LMNAL3MBTL1
SCHEMBL1663554 0.76 PHGDH (0.59) MAPTMEN1KMT2AALDH1A1LMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130261130-A1 NEUROTRYPSIN INHIBITORS NEUROTUNE AG (CH) 2013-10-03 US disclosed
US-20130261130-A1 NEUROTRYPSIN INHIBITORS NEUROTUNE AG (CH) 2013-10-03 US disclosed
WO-2012059442-A2 NEUROTRYPSIN INHIBITORS NEUROTUNE AG (CH) 2012-05-10 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20130261130-A1 NEUROTRYPSIN INHIBITORS MTPN, CHRNA7, CHRNA10 VCAM1 4195/4885MAPT 1060/4885MEN1 3294/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.